2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-6-fluorophenol

C14H18FNO3 — CID 171811425

IUPAC2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-6-fluorophenol
SMILESOc1c(F)cccc1NC1CCC2(CC1)OCCO2
InChIInChI=1S/C14H18FNO3/c15-11-2-1-3-12(13(11)17)16-10-4-6-14(7-5-10)18-8-9-19-14/h1-3,10,16-17H,4-9H2
InChIKeyAATAWZSVQJNUNY-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.63
Rot. Bonds2

About 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-6-fluorophenol

2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-6-fluorophenol (PubChem CID 171811425) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-6-fluorophenol.

Molecular Properties

Compound Name2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-6-fluorophenol
PubChem CID171811425
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-6-fluorophenol
SMILESOc1c(F)cccc1NC1CCC2(CC1)OCCO2
InChIInChI=1S/C14H18FNO3/c15-11-2-1-3-12(13(11)17)16-10-4-6-14(7-5-10)18-8-9-19-14/h1-3,10,16-17H,4-9H2
InChIKeyAATAWZSVQJNUNY-UHFFFAOYSA-N
XLogP2.63
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-6-fluorophenol?
The IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-6-fluorophenol (CID 171811425) is 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-6-fluorophenol.
What is the SMILES notation for 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-6-fluorophenol?
The canonical SMILES for 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-6-fluorophenol is Oc1c(F)cccc1NC1CCC2(CC1)OCCO2.
What is the InChIKey of 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-6-fluorophenol?
The InChIKey is AATAWZSVQJNUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c15-11-2-1-3-12(13(11)17)16-10-4-6-14(7-5-10)18-8-9-19-14/h1-3,10,16-17H,4-9H2.
What are the key properties of 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-6-fluorophenol?
2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-6-fluorophenol has a molecular weight of 267.30 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-6-fluorophenol is sourced from PubChem (CID 171811425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).